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2-Benzyl-sulfanyl-4-pentyl-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

ABSTRACT: In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl-sulfanyl and benzyl-sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66?(6) and 64.73?(5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra-molecular layers in the ab plane are sustained by C-H?? and ?-? inter-actions [pyrimidine-phenyl-sulfanyl centroid-centroid distance = 3.8087?(7)?Å].

SUBMITTER: El-Emam AA

PROVIDER: S-EPMC3247510 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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2-Benzyl-sulfanyl-4-pentyl-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

El-Emam Ali A AA Al-Deeb Omar A OA Al-Turkistani Abdulghafoor A AA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl-sulfanyl and benzyl-sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra-molecular layers in the ab plane are sustained by C-H⋯π and π-π inter-actions [pyrimidine-phenyl-sulfanyl centroid-centroid distance = 3.8087 (7) Å] ...[more]

PMID: 22220128

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